8-[5-(4-cyclohexa-2,4-dien-1-yl-6-cyclohexyl-1,3,5-triazinan-2-yl)cyclohex-3-en-1-yl]-7-(cyclohexen-1-yl)-5-cyclohexyl-4a,5a,8,9,10,11,12a,12b-octahydroindolo[2,3-b]carbazole

C51H69N5 — CID 163542542

IUPAC8-[5-(4-cyclohexa-2,4-dien-1-yl-6-cyclohexyl-1,3,5-triazinan-2-yl)cyclohex-3-en-1-yl]-7-(cyclohexen-1-yl)-5-cyclohexyl-4a,5a,8,9,10,11,12a,12b-octahydroindolo[2,3-b]carbazole
SMILESC1=CCC(C2NC(C3C=CCC(C4CCCc5c4n(C4=CCCCC4)c4c5=CC5C6C=CC=CC6N(C6CCCCC6)C5C=4)C3)NC(C3CCCCC3)N2)C=C1
InChIInChI=1S/C51H69N5/c1-5-17-34(18-6-1)49-52-50(35-19-7-2-8-20-35)54-51(53-49)37-22-15-21-36(31-37)40-28-16-29-42-44-32-43-41-27-13-14-30-45(41)55(38-23-9-3-10-24-38)46(43)33-47(44)56(48(40)42)39-25-11-4-12-26-39/h1,5-6,13-15,17,22,25,27,30,32-38,40-41,43,45-46,49-54H,2-4,7-12,16,18-21,23-24,26,28-29,31H2
InChIKeyFCHZTJGKUDYVDN-UHFFFAOYSA-N
MW752.15 g/mol
LogP8.70
Rot. Bonds6

About 8-[5-(4-cyclohexa-2,4-dien-1-yl-6-cyclohexyl-1,3,5-triazinan-2-yl)cyclohex-3-en-1-yl]-7-(cyclohexen-1-yl)-5-cyclohexyl-4a,5a,8,9,10,11,12a,12b-octahydroindolo[2,3-b]carbazole

8-[5-(4-cyclohexa-2,4-dien-1-yl-6-cyclohexyl-1,3,5-triazinan-2-yl)cyclohex-3-en-1-yl]-7-(cyclohexen-1-yl)-5-cyclohexyl-4a,5a,8,9,10,11,12a,12b-octahydroindolo[2,3-b]carbazole (PubChem CID 163542542) has the molecular formula C51H69N5 and a molecular weight of 752.15 g/mol. Its IUPAC name is 8-[5-(4-cyclohexa-2,4-dien-1-yl-6-cyclohexyl-1,3,5-triazinan-2-yl)cyclohex-3-en-1-yl]-7-(cyclohexen-1-yl)-5-cyclohexyl-4a,5a,8,9,10,11,12a,12b-octahydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name8-[5-(4-cyclohexa-2,4-dien-1-yl-6-cyclohexyl-1,3,5-triazinan-2-yl)cyclohex-3-en-1-yl]-7-(cyclohexen-1-yl)-5-cyclohexyl-4a,5a,8,9,10,11,12a,12b-octahydroindolo[2,3-b]carbazole
PubChem CID163542542
Molecular FormulaC51H69N5
Molecular Weight752.15 g/mol
Exact Mass751.56
IUPAC Name8-[5-(4-cyclohexa-2,4-dien-1-yl-6-cyclohexyl-1,3,5-triazinan-2-yl)cyclohex-3-en-1-yl]-7-(cyclohexen-1-yl)-5-cyclohexyl-4a,5a,8,9,10,11,12a,12b-octahydroindolo[2,3-b]carbazole
SMILESC1=CCC(C2NC(C3C=CCC(C4CCCc5c4n(C4=CCCCC4)c4c5=CC5C6C=CC=CC6N(C6CCCCC6)C5C=4)C3)NC(C3CCCCC3)N2)C=C1
InChIInChI=1S/C51H69N5/c1-5-17-34(18-6-1)49-52-50(35-19-7-2-8-20-35)54-51(53-49)37-22-15-21-36(31-37)40-28-16-29-42-44-32-43-41-27-13-14-30-45(41)55(38-23-9-3-10-24-38)46(43)33-47(44)56(48(40)42)39-25-11-4-12-26-39/h1,5-6,13-15,17,22,25,27,30,32-38,40-41,43,45-46,49-54H,2-4,7-12,16,18-21,23-24,26,28-29,31H2
InChIKeyFCHZTJGKUDYVDN-UHFFFAOYSA-N
XLogP8.70
TPSA44.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.15
LogP ≤ 58.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 8-[5-(4-cyclohexa-2,4-dien-1-yl-6-cyclohexyl-1,3,5-triazinan-2-yl)cyclohex-3-en-1-yl]-7-(cyclohexen-1-yl)-5-cyclohexyl-4a,5a,8,9,10,11,12a,12b-octahydroindolo[2,3-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(4-cyclohexa-2,4-dien-1-yl-6-cyclohexyl-1,3,5-triazinan-2-yl)cyclohex-3-en-1-yl]-7-(cyclohexen-1-yl)-5-cyclohexyl-4a,5a,8,9,10,11,12a,12b-octahydroindolo[2,3-b]carbazole?
The IUPAC name of 8-[5-(4-cyclohexa-2,4-dien-1-yl-6-cyclohexyl-1,3,5-triazinan-2-yl)cyclohex-3-en-1-yl]-7-(cyclohexen-1-yl)-5-cyclohexyl-4a,5a,8,9,10,11,12a,12b-octahydroindolo[2,3-b]carbazole (CID 163542542) is 8-[5-(4-cyclohexa-2,4-dien-1-yl-6-cyclohexyl-1,3,5-triazinan-2-yl)cyclohex-3-en-1-yl]-7-(cyclohexen-1-yl)-5-cyclohexyl-4a,5a,8,9,10,11,12a,12b-octahydroindolo[2,3-b]carbazole.
What is the SMILES notation for 8-[5-(4-cyclohexa-2,4-dien-1-yl-6-cyclohexyl-1,3,5-triazinan-2-yl)cyclohex-3-en-1-yl]-7-(cyclohexen-1-yl)-5-cyclohexyl-4a,5a,8,9,10,11,12a,12b-octahydroindolo[2,3-b]carbazole?
The canonical SMILES for 8-[5-(4-cyclohexa-2,4-dien-1-yl-6-cyclohexyl-1,3,5-triazinan-2-yl)cyclohex-3-en-1-yl]-7-(cyclohexen-1-yl)-5-cyclohexyl-4a,5a,8,9,10,11,12a,12b-octahydroindolo[2,3-b]carbazole is C1=CCC(C2NC(C3C=CCC(C4CCCc5c4n(C4=CCCCC4)c4c5=CC5C6C=CC=CC6N(C6CCCCC6)C5C=4)C3)NC(C3CCCCC3)N2)C=C1.
What is the InChIKey of 8-[5-(4-cyclohexa-2,4-dien-1-yl-6-cyclohexyl-1,3,5-triazinan-2-yl)cyclohex-3-en-1-yl]-7-(cyclohexen-1-yl)-5-cyclohexyl-4a,5a,8,9,10,11,12a,12b-octahydroindolo[2,3-b]carbazole?
The InChIKey is FCHZTJGKUDYVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H69N5/c1-5-17-34(18-6-1)49-52-50(35-19-7-2-8-20-35)54-51(53-49)37-22-15-21-36(31-37)40-28-16-29-42-44-32-43-41-27-13-14-30-45(41)55(38-23-9-3-10-24-38)46(43)33-47(44)56(48(40)42)39-25-11-4-12-26-39/h1,5-6,13-15,17,22,25,27,30,32-38,40-41,43,45-46,49-54H,2-4,7-12,16,18-21,23-24,26,28-29,31H2.
What are the key properties of 8-[5-(4-cyclohexa-2,4-dien-1-yl-6-cyclohexyl-1,3,5-triazinan-2-yl)cyclohex-3-en-1-yl]-7-(cyclohexen-1-yl)-5-cyclohexyl-4a,5a,8,9,10,11,12a,12b-octahydroindolo[2,3-b]carbazole?
8-[5-(4-cyclohexa-2,4-dien-1-yl-6-cyclohexyl-1,3,5-triazinan-2-yl)cyclohex-3-en-1-yl]-7-(cyclohexen-1-yl)-5-cyclohexyl-4a,5a,8,9,10,11,12a,12b-octahydroindolo[2,3-b]carbazole has a molecular weight of 752.15 g/mol, XLogP of 8.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(4-cyclohexa-2,4-dien-1-yl-6-cyclohexyl-1,3,5-triazinan-2-yl)cyclohex-3-en-1-yl]-7-(cyclohexen-1-yl)-5-cyclohexyl-4a,5a,8,9,10,11,12a,12b-octahydroindolo[2,3-b]carbazole is sourced from PubChem (CID 163542542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).